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bobleesj/README.md

My interests

During my spare time, I volunteer and collaborate with Dr. Anton Oliynyk and his students from CUNY Hunter College. I generate geometric/compositional features and build tools for filtering, preprocessing, and merging crystal data.

# Project Description Publication Link
1 CIF Bond Analyzer (CBA) Computes the minimum atomic bonding distances from sites, generating histograms and pair counts. TBA (Summer 2024)
2 Structure Analyzer/Featurizer (SAF) Generates geometric features of interatomic distances, atomic environment information, and coordination numbers. Journal of Alloys and Compounds
3 Composition Analyzer/Featurizer (CAF) Generates chemical compositional features and provides tools for filtering, sorting, and merging data. TBA (Summer 2024)
4 CIF Cleaner Formats .cif files and sorts them based on tags, supercell size, and minimum distance. N/S

Education

I am currently enrolled in the M.S. Materials Science and Engineering program with a concentration in Materials Theory and Simulations at Columbia University, advised by Dr. Renata Wentzcovitch.

Prior to Columbia, I earned a B.E. in Chemical Engineering with minors in Computer Science and Chemistry from The Cooper Union. There, I conducted three semesters of supervised research on Monte Carlo geometry optimization and open-source development, advised by Dr. Robert Topper.

I completed graduate-level coursework in Deep Learning (ECE 472) and Natural Language Processing (ECE 467). My other relevant graduate coursework includes Polymers, Phonons, Electrons, Condensed Matter Physics, Thermodynamics, and Numerical Analysis.

Upcoming trips

I will be presenting a poster at the following events:

  • Deep Modeling for Molecular Simulation 2024, Princeton University, June 25-28, 2024
  • Gordon Research Conference (GRC) Solid-State Chemistry, New Hampshire, July 20-26, 2024

Pinned

  1. structure-analyzer-featurizer structure-analyzer-featurizer Public

    An interactive Python script that generates geometric features of interatomic distances, atomic environment information, and coordination numbers.

    Python 7 2

  2. cif-bond-analyzer cif-bond-analyzer Public

    An interactive Python script that computes the minimum atomic bonding distances from sites, generating histograms and pair counts.

    Python 4

  3. composition-analyzer-featurizer composition-analyzer-featurizer Public

    An interactive Python script that generates chemical compositional features and provides tools for filtering, sorting, and merging data.

    Python 3 1

  4. cif-cleaner cif-cleaner Public

    An interactive Python script that formats .cif files and sorts them based on tags, supercell size, and minimum distance

    Python 3

  5. javascript-cheatsheet javascript-cheatsheet Public

    Mastering Javascript OOP

    16 7

  6. learn-swift-with-bob learn-swift-with-bob Public

    Learn Swift 4 with Bob: Intermediate to Advanced Swift 4 Course

    HTML 23 14